CID 1873401

5-(4-fluorophenyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C11H7FO2S
SMILES
C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)F
InChI
InChI=1S/C11H7FO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
YOFXYDVYMHOXSY-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

86
Patents

222.01508 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02236 143.9
[M+Na]+ 245.00430 153.6
[M-H]- 221.00780 149.1
[M+NH4]+ 240.04890 164.1
[M+K]+ 260.97824 149.4
[M+H-H2O]+ 205.01234 137.6
[M+HCOO]- 267.01328 162.1
[M+CH3COO]- 281.02893 183.1
[M+Na-2H]- 242.98975 144.5
[M]+ 222.01453 144.7
[M]- 222.01563 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe